UCSF

ZINC44677143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 8.38 -39.75 2 3 1 37 247.362 6
Hi High (pH 8-9.5) 1.90 7.26 -9.41 1 3 0 32 246.354 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )